3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C16H22N4O4S — CID 126942181

IUPAC3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(S(=O)(=O)c3cnoc3)CC2)cn1
InChIInChI=1S/C16H22N4O4S/c1-12(2)15-7-16(21)19(11-17-15)9-13-3-5-20(6-4-13)25(22,23)14-8-18-24-10-14/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyYSJIGSFOTWSLQC-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.46
Rot. Bonds5

About 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942181) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942181
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(S(=O)(=O)c3cnoc3)CC2)cn1
InChIInChI=1S/C16H22N4O4S/c1-12(2)15-7-16(21)19(11-17-15)9-13-3-5-20(6-4-13)25(22,23)14-8-18-24-10-14/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyYSJIGSFOTWSLQC-UHFFFAOYSA-N
XLogP1.46
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942298
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942009
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942335
3-[[1-[(3-hydroxy-1-methylsulfonylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942403
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
6-propan-2-yl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942129
3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126941992
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942014

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942181) is 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(S(=O)(=O)c3cnoc3)CC2)cn1.
What is the InChIKey of 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is YSJIGSFOTWSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12(2)15-7-16(21)19(11-17-15)9-13-3-5-20(6-4-13)25(22,23)14-8-18-24-10-14/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 366.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).